SCHEMBL4548252

SCHEMBL4548252

Cc1ccc([N+](=O)[O-])cc1OCCN(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.59
CHRNA4 P43681 1/20 0.59
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
CYP19A1 P11511 6/20 0.49
ALDH1A1 P00352 4/20 0.49
TSHR P16473 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
MAPT P10636 1/20 0.48
CYP3A4 P08684 3/20 0.46
PDE2A O00408 1/20 0.46
PDE5A O76074 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
PDE4A P27815 1/20 0.46
BLM P54132 1/20 0.46
PDE1B Q01064 1/20 0.46
PMP22 Q01453 1/20 0.46
PDE4B Q07343 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1811361 0.88 CHRNB2 (0.59) CHRNB2CHRNA4KDM4EGAACYP19A1
SCHEMBL14204587 0.86 KCNH2 (0.52) CHRNB2CHRNA4GAACYP19A1ALDH1A1
SCHEMBL5509909 0.85 CHRNB2 (0.59) CHRNB2CHRNA4KDM4EGAACYP19A1
SCHEMBL27884430 0.85 CYP19A1 (0.46) CHRNB2CHRNA4CYP19A1ALDH1A1TSHR
SCHEMBL29458175 0.84 CHRNB2 (0.58) CHRNB2CHRNA4KDM4EGAACYP19A1
SCHEMBL7399032 0.84 CHRNB2 (0.58) CHRNB2CHRNA4KDM4EGAACYP19A1
SCHEMBL29458124 0.84 CHRNB2 (0.58) CHRNB2CHRNA4KDM4EGAACYP19A1
SCHEMBL5275797 0.84 CHRNB2 (0.58) CHRNB2CHRNA4KDM4EGAACYP19A1
SCHEMBL1219905 0.84 CHRNB2 (0.58) CHRNB2CHRNA4KDM4EGAACYP19A1
SCHEMBL7396303 0.84 CHRNB2 (0.58) CHRNB2CHRNA4KDM4EGAACYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
WO-2012162025-A1 METHODS OF SELECTING CANCER PATIENTS FOR TREATMENT WITH N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-29 WO disclosed
CN-102796075-A Benzocycloheptenes derivative as well as preparation method and medical application thereof INST PHARM & TOXICOLOGY AMMS 2012-11-28 CN disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
WO-2010138820-A2 N,N-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT CHRNB2 4076/4885CHRNA4 4029/4885KDM4E 1117/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT CHRNB2 4076/4885CHRNA4 4029/4885KDM4E 1117/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.